N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C13H19F3N2OS — CID 106783684

IUPACN-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)C1(OC)CCC1
InChIInChI=1S/C13H19F3N2OS/c1-3-7-17-10(12(19-2)5-4-6-12)9-8-18-11(20-9)13(14,15)16/h8,10,17H,3-7H2,1-2H3
InChIKeyOIECLBLEXPYQAI-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.77
Rot. Bonds6

About N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 106783684) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID106783684
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)C1(OC)CCC1
InChIInChI=1S/C13H19F3N2OS/c1-3-7-17-10(12(19-2)5-4-6-12)9-8-18-11(20-9)13(14,15)16/h8,10,17H,3-7H2,1-2H3
InChIKeyOIECLBLEXPYQAI-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783469
(1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783739
(1-ethoxycyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782895
N-[(1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106830795
N-[thiolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783552
N-[2-cyclopropyl-2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783709
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483
3,3-dimethyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783238
N-[(3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783140
N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783159
N-[2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783290
N-[2-tert-butylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783294

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 106783684) is N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNC(c1cnc(C(F)(F)F)s1)C1(OC)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is OIECLBLEXPYQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-3-7-17-10(12(19-2)5-4-6-12)9-8-18-11(20-9)13(14,15)16/h8,10,17H,3-7H2,1-2H3.
What are the key properties of N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 308.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 106783684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).